2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[(4-morpholinophenyl)methyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(4-morpholinobenzyl)acetamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCC2=CC=C(C=C2)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O6S/c1-16-3-6-19(25(27)28)13-20(16)24(32(2,29)30)15-21(26)22-14-17-4-7-18(8-5-17)23-9-11-31-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)